SCHEMBL8696385

SCHEMBL8696385

CCCn1cc(C(=O)OCC)c(NC(=S)NC2CCCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FAAH O00519 2/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR2 O95136 1/20 0.41
XBP1 P17861 1/20 0.41
NR2F2 P24468 1/20 0.41
PPP1CA P62136 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
STS P08842 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8693117 0.94 MAPT (0.50) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8692959 0.92 MAPT (0.54) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8696502 0.90 RAB9A (0.44) MAPTALDH1A1MEN1KMT2AFAAH
SCHEMBL8696400 0.87 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8698799 0.85 MAPT (0.50) MAPTALDH1A1FAAHLMNAGAA
SCHEMBL8698684 0.84 CNR2 (0.43) ALDH1A1MEN1KMT2AFAAHLMNA
SCHEMBL8698701 0.83 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8695922 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACNR1CNR2
SCHEMBL8696169 0.81 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8692495 0.81 RAB9A (0.54) MAPTALDH1A1MEN1KMT2AFAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849779-A Pyrazole derivatives and their pharmaceutical use JAPAN ENERGY CORPORATION (JP) 1998-12-15 US disclosed
EP-0810217-A1 Pyrazole derivatives and their pharmaceutical use as smooth muscle cell growth inhibitors JAPAN ENERGY CORPORATION (JP) 1997-12-03 EP disclosed